Mrv1652306242117493D 43 44 0 0 0 0 999 V2000 -2.4896 1.7564 1.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4925 0.9410 1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.9700 0.2716 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1208 2.3474 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 0.8358 -0.8103 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5506 -0.4322 -0.6764 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8790 -0.3258 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 -1.5891 -0.0514 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3382 -1.4283 -0.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4419 -2.6513 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 -0.1693 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6726 -0.0611 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2922 0.7276 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5809 1.3572 -1.8629 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 0.8594 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4477 0.2596 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8398 -0.5053 1.1262 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5987 -1.1060 2.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5243 -0.6468 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -1.3840 1.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 1.7627 2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 2.4817 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1645 0.2336 2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 2.4019 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 3.0198 0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0524 2.8631 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 0.8676 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4475 1.7065 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7735 -0.8086 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 -0.6500 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3418 0.6502 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5667 -1.0940 -0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -2.5638 -0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 -1.5372 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 -1.2434 -1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.4322 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -3.1058 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 -2.5271 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 -0.5875 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 1.9090 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 1.4848 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 0.3755 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 -1.9617 1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 11 3 1 0 0 0 0 19 12 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 6 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 6 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 1 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 18 43 1 0 0 0 0 M END > NP0003725 > NP-MRD > [H]ON1C([H])=C([H])C(O[H])=C(C1=O)[C@]1([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]1(C([H])=C([H])[H])C([H])([H])[H] > InChI=1S/C16H23NO3/c1-5-16(4)9-10(2)8-11(3)14(16)13-12(18)6-7-17(20)15(13)19/h5-7,10-11,14,18,20H,1,8-9H2,2-4H3/t10-,11+,14+,16-/m1/s1 > RUYMPIIPQAXOTF-PSHZPRKYSA-N > C16H23NO3 > 277.364 > 277.167793605 > 3 > 43 > 30.517291280434453 > 1 > 2 > 0 > 1 > 3-[(2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxy-1,2-dihydropyridin-2-one > 2.73 > 2.913470039000001 > -3.27 > 0 > 2 > -1 > 10.735806098338855 > 6.555434677215084 > -4.119090721716376 > 60.77 > 79.97569999999999 > 2 > 1 > 1.48e-01 g/l > 3-[(2S,4R,6S)-2-ethenyl-2,4,6-trimethylcyclohexyl]-1,4-dihydroxypyridin-2-one > 0 > NP0003725 > Cordypyridone B $$$$